2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide

C27H19FN2O2 — CID 2892920

IUPAC2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide
SMILESN#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C27H19FN2O2/c28-24-12-6-7-13-25(24)30-27(31)21(17-29)16-23-22-11-5-4-10-20(22)14-15-26(23)32-18-19-8-2-1-3-9-19/h1-16H,18H2,(H,30,31)
InChIKeyLOCIZXKYSGWSOC-UHFFFAOYSA-N
MW422.46 g/mol
LogP6.10
Rot. Bonds6

About 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide

2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide (PubChem CID 2892920) has the molecular formula C27H19FN2O2 and a molecular weight of 422.46 g/mol. Its IUPAC name is 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide.

Molecular Properties

Compound Name2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide
PubChem CID2892920
Molecular FormulaC27H19FN2O2
Molecular Weight422.46 g/mol
Exact Mass422.14
IUPAC Name2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide
SMILESN#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1F
InChIInChI=1S/C27H19FN2O2/c28-24-12-6-7-13-25(24)30-27(31)21(17-29)16-23-22-11-5-4-10-20(22)14-15-26(23)32-18-19-8-2-1-3-9-19/h1-16H,18H2,(H,30,31)
InChIKeyLOCIZXKYSGWSOC-UHFFFAOYSA-N
XLogP6.10
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.46
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-3-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126248551
3-[[3-[2-[(4-carboxyphenyl)methoxy]naphthalen-1-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 3967332
(E)-2-benzoyl-3-[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]prop-2-enenitrile
CID 21381904
N-(2-fluorophenyl)-N'-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]butanediamide
CID 3911519
(E)-2-cyano-N-[[(2S)-oxolan-2-yl]methyl]-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide
CID 1275000
(E)-3-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]-2-cyanoprop-2-enamide
CID 6001143
(E)-2-cyano-N-(2,4-dimethylphenyl)-3-(2-ethoxynaphthalen-1-yl)prop-2-enamide
CID 7912082
N-benzyl-2-cyano-3-(2-methoxynaphthalen-1-yl)prop-2-enamide
CID 4520205
(Z)-2-cyano-3-[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]-N-[(1S)-1-phenylethyl]prop-2-enamide
CID 126236019
(Z)-2-cyano-3-(2-ethoxynaphthalen-1-yl)-N-(3-phenylpropyl)prop-2-enamide
CID 126253375
3-anthracen-9-yl-2-cyano-N-naphthalen-1-ylprop-2-enamide
CID 3936852
[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] naphthalene-1-carboxylate
CID 2349503

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide?
The IUPAC name of 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide (CID 2892920) is 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide.
What is the SMILES notation for 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide?
The canonical SMILES for 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide is N#CC(=Cc1c(OCc2ccccc2)ccc2ccccc12)C(=O)Nc1ccccc1F.
What is the InChIKey of 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide?
The InChIKey is LOCIZXKYSGWSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN2O2/c28-24-12-6-7-13-25(24)30-27(31)21(17-29)16-23-22-11-5-4-10-20(22)14-15-26(23)32-18-19-8-2-1-3-9-19/h1-16H,18H2,(H,30,31).
What are the key properties of 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide?
2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide has a molecular weight of 422.46 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(2-fluorophenyl)-3-(2-phenylmethoxynaphthalen-1-yl)prop-2-enamide is sourced from PubChem (CID 2892920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).